4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile

C12H10FN5 — CID 64577336

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCn3cnnc3C2)c(F)c1
InChIInChI=1S/C12H10FN5/c13-10-5-9(6-14)1-2-11(10)17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,7H2
InChIKeyRFOIVPGZGUFHMW-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.31
Rot. Bonds1

About 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile (PubChem CID 64577336) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile
PubChem CID64577336
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCn3cnnc3C2)c(F)c1
InChIInChI=1S/C12H10FN5/c13-10-5-9(6-14)1-2-11(10)17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,7H2
InChIKeyRFOIVPGZGUFHMW-UHFFFAOYSA-N
XLogP1.31
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine
CID 78996701
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile
CID 114481225
3-fluoro-4-(4-oxopiperidin-1-yl)benzonitrile
CID 43656981
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284896
3-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 51106961
4-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorobenzonitrile
CID 146108544
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylbenzoic acid
CID 64575249
3-fluoro-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133448595
1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
CID 82953888
(1R)-1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
CID 64577245

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile (CID 64577336) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile is N#Cc1ccc(N2CCn3cnnc3C2)c(F)c1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile?
The InChIKey is RFOIVPGZGUFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c13-10-5-9(6-14)1-2-11(10)17-3-4-18-8-15-16-12(18)7-17/h1-2,5,8H,3-4,7H2.
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile has a molecular weight of 243.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 64577336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).